BioLiP

PDB

BioLiP

PDB CCD ID:

A1IAQ

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O

InChI:

InChI=1S/C6H11N3O/c1-5-8-4-6(7)9(5)2-3-10/h4,10H,2-3,7H2,1H3

InChIKey:

QIXFXNMDRJRTIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ncc(N)n1CCO
OpenEye OEToolkits 2.0.7	Cc1ncc(n1CCO)N

Name:

2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol

ChEMBL:

CHEMBL4460108

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).